CID 71040784

Tenofovir alanine

Structural Information

Molecular Formula
C18H23N6O5P
SMILES
C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(N[C@@H](C)C(=O)O)OC3=CC=CC=C3
InChI
InChI=1S/C18H23N6O5P/c1-12(8-24-10-22-15-16(19)20-9-21-17(15)24)28-11-30(27,23-13(2)18(25)26)29-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,23,27)(H,25,26)(H2,19,20,21)/t12-,13+,30+/m1/s1
InChIKey
NWHKAJWJKCADJB-SKNKREGJSA-N
Compound name
(2S)-2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

434.14676 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15404 195.9
[M+Na]+ 457.13598 203.3
[M+NH4]+ 452.18058 197.3
[M+K]+ 473.10992 204.2
[M-H]- 433.13948 194.5
[M+Na-2H]- 455.12143 199.0
[M]+ 434.14621 195.8
[M]- 434.14731 195.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.